[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate

Formula:C23H15O5F Mutagenic:none Tumorigenic:none Reproductive Effective:low [4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate is a drug-like molecule.

MolName	[4-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate
MolecularFormula	C23H15O5F
Smiles	O=C(/C=C/c(cccc1)c1F)c(cc1)ccc1OC(c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C23H15FO5/c24-19-4-2-1-3-15(19)7-11-20(25)16-5-9-18(10-6-16)29-23(26)17-8-12-21-22(13-17)28-14-27-21/h1-13H,14H2
InChIK	XKBRNTYBAVFYIJ-UHFFFAOYSA-N
TotalMolweight	390.365
Molweight	390.365
MonoisotopicMass	390.090353
CLogP	4.9465
CLogS	-6.335
H Acceptors	5
TotalSurfaceArea	291.39
Relative PSA	0.19246
PolarSurfaceArea	61.83
Druglikeness	-1.2604
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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